ChemSpider 2D Image | 2-({4-Amino-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)propanamide | C21H23Cl2N5O2S

2-({4-Amino-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)propanamide

  • Molecular FormulaC21H23Cl2N5O2S
  • Average mass480.411 Da
  • Monoisotopic mass479.094940 Da
  • ChemSpider ID31391914

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-({4-Amino-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)propanamide [ACD/IUPAC Name]
2-({4-Amino-5-[(4-isopropylphénoxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophényl)propanamide [French] [ACD/IUPAC Name]
2-({4-Amino-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorphenyl)propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[4-amino-5-[[4-(1-methylethyl)phenoxy]methyl]-4H-1,2,4-triazol-3-yl]thio]-N-(2,5-dichlorophenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2747.63
ACD/KOC (pH 5.5): 10073.87
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2747.51
ACD/KOC (pH 7.4): 10073.44
Polar Surface Area: 120 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 340.8±7.0 cm3

Click to predict properties on the Chemicalize site


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